7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[methyl-(3-methylphenyl)-oxo-λ6-sulfanylidene]imidazo[1,2-a]pyridine-2-carboxamide

C19H14ClF2N5O3S — CID 162532666

About 7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[methyl-(3-methylphenyl)-oxo-λ6-sulfanylidene]imidazo[1,2-a]pyridine-2-carboxamide

7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[methyl-(3-methylphenyl)-oxo-λ6-sulfanylidene]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162532666) has the molecular formula C19H14ClF2N5O3S and a molecular weight of 465.87 g/mol. Its IUPAC name is 7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[methyl-(3-methylphenyl)-oxo-λ6-sulfanylidene]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[methyl-(3-methylphenyl)-oxo-λ6-sulfanylidene]imidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 162532666
• Molecular Formula: C19H14ClF2N5O3S
• Molecular Weight: 465.87 g/mol
• Exact Mass: 465.05
• IUPAC Name: 7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[methyl-(3-methylphenyl)-oxo-λ6-sulfanylidene]imidazo[1,2-a]pyridine-2-carboxamide
• SMILES: Cc1cccc(S(C)(=O)=NC(=O)c2cn3ccc(-c4noc(C(F)(F)Cl)n4)cc3n2)c1
• InChI: InChI=1S/C19H14ClF2N5O3S/c1-11-4-3-5-13(8-11)31(2,29)26-17(28)14-10-27-7-6-12(9-15(27)23-14)16-24-18(30-25-16)19(20,21)22/h3-10H,1-2H3
• InChIKey: YLFDKGIDMAJCRT-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 102.72 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.87
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[methyl-(3-methylphenyl)-oxo-λ6-sulfanylidene]imidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of 7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[methyl-(3-methylphenyl)-oxo-λ6-sulfanylidene]imidazo[1,2-a]pyridine-2-carboxamide (CID 162532666) is 7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[methyl-(3-methylphenyl)-oxo-λ6-sulfanylidene]imidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for 7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[methyl-(3-methylphenyl)-oxo-λ6-sulfanylidene]imidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for 7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[methyl-(3-methylphenyl)-oxo-λ6-sulfanylidene]imidazo[1,2-a]pyridine-2-carboxamide is Cc1cccc(S(C)(=O)=NC(=O)c2cn3ccc(-c4noc(C(F)(F)Cl)n4)cc3n2)c1.

What is the InChIKey of 7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[methyl-(3-methylphenyl)-oxo-λ6-sulfanylidene]imidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is YLFDKGIDMAJCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N5O3S/c1-11-4-3-5-13(8-11)31(2,29)26-17(28)14-10-27-7-6-12(9-15(27)23-14)16-24-18(30-25-16)19(20,21)22/h3-10H,1-2H3.

What are the key properties of 7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[methyl-(3-methylphenyl)-oxo-λ6-sulfanylidene]imidazo[1,2-a]pyridine-2-carboxamide?

7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[methyl-(3-methylphenyl)-oxo-λ6-sulfanylidene]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 465.87 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[methyl-(3-methylphenyl)-oxo-λ6-sulfanylidene]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162532666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).